RT Journal Article T1 Lead-free piezocomposites with CNT-modified matrices: Accounting for agglomerations and molecular defects. A1 Krishnaswamy, Jagdish A. A1 Buroni, Federico C. A1 García-Sánchez, Felipe A1 Melnik, Roderick A1 Rodríguez de Tembleque, Luis A1 Sáez, Andrés K1 Piezoelectricidad K1 Materiales inteligentes K1 Método de los elementos finitos AB Piezoelectric matrix-inclusion composites based on lead-free ceramics have attracted attention due to the possibility of manufacturing environmentally friendly devices using scalable emerging technologies such as 3D printing. However, lead-free materials lag lead-based piezo-composites in terms of performance, thus necessitating new design strategies to escalate piezoelectric response. Here, we build a modeling paradigm for improving the piezoelectric performance through improved matrices and optimal polycrystallinity in the piezoelectric inclusions. By incorporating carbon nanotubes in the matrix, we demonstrate 2-3 orders of improvement in the piezoelectric response, through simultaneous hardening of the matrix and improvement in its permittivity. By tuning the polycrystallinity of the piezoelectric inclusions, we show considerable improvements exceeding 50% in the piezo-response, compared to single crystal inclusions. We further analyze the influence of carbon nanotube agglomerations at supramolecular length scales, as well as vacancy defects in the nanotubes at the atomic level, on composite performance. Although nanomaterial agglomeration is conventionally considered undesirable, we show that, near nanotube percolation, clustering of nanotubes can lead to better matrix hardening and higher permittivities, leading to improvements exceeding 30% in the piezoelectric response compared to non-agglomerated architectures. We further demonstrate that although atomic vacancy defects in nanotubes effectively soften the matrix, this can be compensated by agglomeration of nanotubes at larger length-scales. PB Elsevier YR 2019 FD 2019-05-23 LK https://hdl.handle.net/10630/29031 UL https://hdl.handle.net/10630/29031 LA eng NO Jagdish A. Krishnaswamy, Federico C. Buroni, Felipe Garcia-Sanchez, Roderick Melnik, Luis Rodriguez-Tembleque, Andres Saez, Lead-free piezocomposites with CNT-modified matrices: Accounting for agglomerations and molecular defects, Composite Structures, Volume 224, 2019, 111033, ISSN 0263-8223, https://doi.org/10.1016/j.compstruct.2019.111033. NO Ministerio de Economía y Competitividad de España y European Regional Development Fund, proyectos DPI2014-53947-R y DPI2017-89162-R.Programa NSERC and CRC DS RIUMA. Repositorio Institucional de la Universidad de Málaga RD 21 ene 2026